| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013261
BDB013261
|
BDBM298384
COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(OCCN5CCOCC5)c(C#N)c4)c3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O
|
C41H45N7O7S 779.920000 |
AJJZMNCMJRGQGR-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298384; PubChem:CID121255480
|
Local ready
Direct docking supported
|
|
E3L013262
BDB013262
|
US10125100, Example 11
COCCOCCOCC[S+]([O-])c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc1OC
|
C42H51N5O10S2 850.029000 |
MDUZOIRSXQZVAD-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298386; PubChem:CID121255487
|
Local ready
Direct docking supported
|
|
E3L013263
BDB013263
|
US10125100, Example 12
COCCOCCOCCS(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc1OC
|
C42H51N5O11S2 866.028000 |
IJZIJKCOVKFXSJ-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298390; PubChem:CID121255379
|
Local ready
Direct docking supported
|
|
E3L013264
BDB013264
|
US10125100, Example 14
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCC1CCN(C)CC1
|
C44H53N7O7S 824.017000 |
FSRFRWLXYSIGBM-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298392; PubChem:CID121255277
|
Local ready
Direct docking supported
|
|
E3L013265
BDB013265
|
US10125100, Example 15
C#Cc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
|
C43H47N7O7S 805.958000 |
DQBWTIIAKDUFDY-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298393; PubChem:CID121255401
|
Local ready
Direct docking supported
|
|
E3L013266
BDB013266
|
BDBM298394
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCO
|
C42H50N6O10S 830.961000 |
MLRLVVFULIQDBS-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM298394
|
Local ready
Direct docking supported
|
|
E3L013267
BDB013267
|
US10125100, Example 17(b)
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCOCC1
|
C43H51N7O8S 825.989000 |
HMBIOLBRLKAILX-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298396; PubChem:CID121255599
|
Local ready
Direct docking supported
|
|
E3L013268
BDB013268
|
US10125100, Example 17(j)
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NC1CCN(C)CC1
|
C42H49N7O7S 795.963000 |
PTMVPXQFPYJIMN-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298404; PubChem:CID121255377
|
Local ready
Direct docking supported
|
|
E3L013269
BDB013269
|
US10125100, Example 17(k)
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1(C)C
|
C44H53N7O8S 840.016000 |
AXTJOSYSBHOKSD-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298405; PubChem:CID121255340
|
Local ready
Direct docking supported
|
|
E3L013270
BDB013270
|
US10125100, Example 17(l)
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCSCC1
|
C42H49N7O7S2 828.030000 |
XZONPFGSXMCDND-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298406; PubChem:CID121255568
|
Local ready
Direct docking supported
|
|
E3L013271
BDB013271
|
US10125100, Example 17(m)
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCC(O)CC1
|
C43H51N7O8S 825.989000 |
SFCINDFSKWVQNX-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298407; PubChem:CID121255500
|
Local ready
Direct docking supported
|
|
E3L013272
BDB013272
|
US10125100, Example 17(p)
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCCC1
|
C43H51N7O7S 809.990000 |
SDIVAOWWTUDXMT-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298410; PubChem:CID121255303
|
Local ready
Direct docking supported
|
|
E3L013273
BDB013273
|
US10125100, Example 17(r)
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)(=O)CC1
|
C42H49N7O9S2 860.028000 |
HNQXGEIEMKYOPM-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298412; PubChem:CID121276338
|
Local ready
Direct docking supported
|
|
E3L013274
BDB013274
|
US10125100, Example 17(u)
COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)c3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O
|
C41H47N7O7S 781.936000 |
DQGNRAHSEYSADB-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298415; PubChem:CID121255421
|
Local ready
Direct docking supported
|
|
E3L013275
BDB013275
|
US10125100, Example 17(v)
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)N[C@@H](C)CN1CCOCC1
|
C43H51N7O8S 825.989000 |
ZORBJIAADRKZOH-MHZLTWQESA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298416; PubChem:CID121255484
|
Local ready
Direct docking supported
|
|
E3L013276
BDB013276
|
US10125100, Example 17(aa)
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCN(C)CC1
|
C44H54N8O7S 839.032000 |
JDAQJEHWJCXAFI-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298421; PubChem:CID121255450
|
Local ready
Direct docking supported
|
|
E3L013277
BDB013277
|
US10125100, Example 17(ae)
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCOCC1
|
C43H51N7O9S 841.988000 |
BGPSGELIEAWXPK-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298425; PubChem:CID121255361
|
Local ready
Direct docking supported
|
|
E3L013278
BDB013278
|
US10125100, Example 17(af)
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)N(C)CCCN1CCOCC1
|
C44H53N7O8S 840.016000 |
IHCLBOWQUVPHBB-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298426; PubChem:CID121255530
|
Local ready
Direct docking supported
|
|
E3L013279
BDB013279
|
US10125100, Example 17(cm)
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NC(CO)(CO)CO
|
C40H46N6O10S 802.907000 |
AEQLIHRFVYSWGR-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298434; PubChem:CID121255438
|
Local ready
Direct docking supported
|
|
E3L013280
BDB013280
|
US10125100, Example 19
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCOP(=O)(O)O
|
C42H51N6O13PS 910.940000 |
URNGXAVMGITILR-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298436; PubChem:CID121255320
|
Local ready
Direct docking supported
|